5-[1-[(3-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(2-phenylethyl)pentanamide

C28H28FN3O3 — CID 15989405

IUPAC5-[1-[(3-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(2-phenylethyl)pentanamide
SMILESO=C(CCCCn1c(=O)c2ccccc2n(Cc2cccc(F)c2)c1=O)NCCc1ccccc1
InChIInChI=1S/C28H28FN3O3/c29-23-12-8-11-22(19-23)20-32-25-14-5-4-13-24(25)27(34)31(28(32)35)18-7-6-15-26(33)30-17-16-21-9-2-1-3-10-21/h1-5,8-14,19H,6-7,15-18,20H2,(H,30,33)
InChIKeyUXVDOKCUBTZXTF-UHFFFAOYSA-N
MW473.55 g/mol
LogP3.88
Rot. Bonds10

About 5-[1-[(3-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(2-phenylethyl)pentanamide

5-[1-[(3-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(2-phenylethyl)pentanamide (PubChem CID 15989405) has the molecular formula C28H28FN3O3 and a molecular weight of 473.55 g/mol. Its IUPAC name is 5-[1-[(3-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(2-phenylethyl)pentanamide.

Molecular Properties

Compound Name5-[1-[(3-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(2-phenylethyl)pentanamide
PubChem CID15989405
Molecular FormulaC28H28FN3O3
Molecular Weight473.55 g/mol
Exact Mass473.21
IUPAC Name5-[1-[(3-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(2-phenylethyl)pentanamide
SMILESO=C(CCCCn1c(=O)c2ccccc2n(Cc2cccc(F)c2)c1=O)NCCc1ccccc1
InChIInChI=1S/C28H28FN3O3/c29-23-12-8-11-22(19-23)20-32-25-14-5-4-13-24(25)27(34)31(28(32)35)18-7-6-15-26(33)30-17-16-21-9-2-1-3-10-21/h1-5,8-14,19H,6-7,15-18,20H2,(H,30,33)
InChIKeyUXVDOKCUBTZXTF-UHFFFAOYSA-N
XLogP3.88
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(2-phenylethyl)pentanamide?
The IUPAC name of 5-[1-[(3-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(2-phenylethyl)pentanamide (CID 15989405) is 5-[1-[(3-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(2-phenylethyl)pentanamide.
What is the SMILES notation for 5-[1-[(3-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(2-phenylethyl)pentanamide?
The canonical SMILES for 5-[1-[(3-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(2-phenylethyl)pentanamide is O=C(CCCCn1c(=O)c2ccccc2n(Cc2cccc(F)c2)c1=O)NCCc1ccccc1.
What is the InChIKey of 5-[1-[(3-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(2-phenylethyl)pentanamide?
The InChIKey is UXVDOKCUBTZXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN3O3/c29-23-12-8-11-22(19-23)20-32-25-14-5-4-13-24(25)27(34)31(28(32)35)18-7-6-15-26(33)30-17-16-21-9-2-1-3-10-21/h1-5,8-14,19H,6-7,15-18,20H2,(H,30,33).
What are the key properties of 5-[1-[(3-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(2-phenylethyl)pentanamide?
5-[1-[(3-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(2-phenylethyl)pentanamide has a molecular weight of 473.55 g/mol, XLogP of 3.88, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(3-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(2-phenylethyl)pentanamide is sourced from PubChem (CID 15989405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).